#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0q s VAL 4 N 0.00 0.00 -0.14 0.00 -7.23 -1.26 -5.09 120.40 106.68 1j0q s VAL 4 Ca 0.00 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1j0q s VAL 4 Cb 0.00 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.36 1j0q s VAL 4 CO 0.00 0.00 -0.14 0.29 -0.31 0.00 0.00 175.10 174.94 1j0q n LYS 5 N -0.46 0.33 -3.69 4.82 5.02 -1.26 -5.06 118.16 117.86 1j0q n LYS 5 Ca 0.02 0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 1j0q n LYS 5 Cb 0.63 -1.21 0.01 0.00 -0.02 0.00 0.00 35.03 34.45 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j0q n TYR 6 N -3.08 -2.29 -1.46 2.13 4.01 -1.26 -4.92 117.16 110.30 1j0q n TYR 6 Ca -0.25 0.95 -0.55 0.00 -0.16 0.00 0.00 57.90 57.88 1j0q n TYR 6 Cb 0.74 -2.43 -0.07 0.00 -0.31 0.00 0.00 39.34 37.28 1j0q n TYR 6 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1j0q n TYR 7 N -1.75 0.35 -3.03 -0.72 4.01 -0.55 -4.47 117.16 111.00 1j0q n TYR 7 Ca -0.24 1.02 -0.29 0.00 -0.16 0.00 0.00 57.90 58.24 1j0q n TYR 7 Cb 0.69 -2.03 -0.03 0.00 -0.31 0.00 0.00 39.34 37.66 1j0q n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1j0q s THR 8 N -0.25 4.89 0.29 -0.72 -4.23 -1.26 -0.18 115.64 114.18 1j0q s THR 8 Ca 0.83 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.74 1j0q s THR 8 Cb -1.17 -3.74 0.29 0.00 1.34 0.00 0.00 72.50 69.22 1j0q s THR 8 CO 0.56 -0.47 1.78 0.25 -0.54 0.00 0.00 174.62 176.21 1j0q h LEU 9 N 1.34 0.78 -0.17 4.79 6.46 -1.94 0.95 115.31 127.52 1j0q h LEU 9 Ca -0.47 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.41 1j0q h LEU 9 Cb 1.19 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.00 1j0q h LEU 9 CO 0.64 0.31 -0.53 -0.08 -0.62 0.00 0.00 178.44 178.16 1j0q h GLU 10 N 0.79 -0.53 -0.43 1.25 4.81 -1.99 0.14 114.58 118.61 1j0q h GLU 10 Ca 0.55 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.84 1j0q h GLU 10 Cb 0.79 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1j0q h GLU 10 CO -0.36 -0.35 0.25 0.93 -0.73 0.00 0.00 179.01 178.74 1j0q h GLU 11 N -0.55 0.49 0.07 1.92 4.39 -1.65 -0.69 114.58 118.56 1j0q h GLU 11 Ca 0.04 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1j0q h GLU 11 Cb 0.67 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1j0q h GLU 11 CO -0.45 0.32 -0.03 0.82 -1.16 0.00 0.00 179.01 178.51 1j0q h ILE 12 N 0.50 0.95 -0.31 3.13 2.04 -0.11 0.19 117.51 123.91 1j0q h ILE 12 Ca 0.17 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 66.03 1j0q h ILE 12 Cb 0.02 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1j0q h ILE 12 CO -0.08 0.02 -0.16 1.56 0.00 0.00 0.00 178.15 179.48 1j0q h GLN 13 N -0.12 -0.11 -0.91 2.37 1.08 -0.57 -1.95 115.11 114.89 1j0q h GLN 13 Ca -0.01 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 1j0q h GLN 13 Cb 0.10 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.49 1j0q h GLN 13 CO 0.02 -0.08 0.57 -0.22 -0.95 0.00 0.00 178.83 178.17 1j0q h LYS 14 N -0.12 0.97 -3.84 1.46 3.64 -0.52 -3.33 116.57 114.83 1j0q h LYS 14 Ca 0.16 -0.06 -0.71 0.00 -1.27 0.00 0.00 60.65 58.77 1j0q h LYS 14 Cb 0.36 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1j0q h LYS 14 CO -0.38 0.64 3.17 0.72 -2.27 0.00 0.00 179.45 181.32 1j0q n HIS 15 N -4.61 3.36 -2.39 1.91 8.25 0.61 -4.24 115.22 118.11 1j0q n HIS 15 Ca 0.14 -2.98 -0.00 0.00 -0.26 0.00 0.00 57.72 54.62 1j0q n HIS 15 Cb 0.23 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 28.82 1j0q n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1j0q n ASN 16 N 5.64 0.28 -0.73 0.41 0.23 -1.17 -0.52 115.26 119.40 1j0q n ASN 16 Ca 0.55 -2.02 0.04 0.00 -0.53 0.00 0.00 54.58 52.62 1j0q n ASN 16 Cb 0.37 -0.07 0.20 0.00 -2.08 0.00 0.00 39.78 38.20 1j0q n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1j0q n ASN 17 N 0.08 2.45 -2.86 0.53 5.15 -1.05 -4.92 115.26 114.65 1j0q n ASN 17 Ca -0.06 -3.55 -0.12 0.00 -0.60 0.00 0.00 54.58 50.24 1j0q n ASN 17 Cb 0.95 -0.55 0.06 0.00 -0.53 0.00 0.00 39.78 39.72 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1j0q n SER 18 N -1.09 -3.75 0.09 1.20 2.88 -1.26 -4.81 113.62 106.88 1j0q n SER 18 Ca 0.24 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1j0q n SER 18 Cb 0.83 -4.09 0.00 0.00 -0.75 0.00 0.00 64.21 60.20 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1j0q n LYS 19 N -3.13 0.00 -4.22 -1.46 4.76 -1.26 -5.06 118.16 107.79 1j0q n LYS 19 Ca -0.14 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.13 1j0q n LYS 19 Cb 0.61 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.67 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1j0q s SER 20 N -2.00 1.03 -0.78 4.39 0.01 -1.26 -4.96 113.70 110.13 1j0q s SER 20 Ca 0.00 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 1j0q s SER 20 Cb 0.00 -0.06 0.19 0.00 0.21 0.00 0.00 66.02 66.37 1j0q s SER 20 CO 0.00 -0.01 0.63 -0.89 0.41 0.00 0.00 173.24 173.38 1j0q s THR 21 N -0.68 3.96 0.40 1.44 2.01 -1.26 -2.53 115.64 118.99 1j0q s THR 21 Ca -0.01 -3.63 -0.20 0.00 0.31 0.00 0.00 61.69 58.16 1j0q s THR 21 Cb -0.06 -3.51 -0.10 0.00 0.01 0.00 0.00 72.50 68.83 1j0q s THR 21 CO 0.00 -1.01 0.90 0.26 -0.69 0.00 0.00 174.62 174.08 1j0q s TRP 22 N -0.95 3.33 0.14 4.92 0.52 0.32 -1.81 118.94 125.40 1j0q s TRP 22 Ca 0.24 1.52 -0.14 0.00 0.02 0.00 0.00 56.10 57.73 1j0q s TRP 22 Cb -0.11 -2.77 0.02 0.00 -1.15 0.00 0.00 33.47 29.46 1j0q s TRP 22 CO -0.10 -0.06 0.37 -0.48 0.02 0.00 0.00 176.95 176.71 1j0q s LEU 23 N -3.11 0.58 -0.24 2.99 0.05 0.01 -0.01 118.68 118.94 1j0q s LEU 23 Ca 0.60 -0.48 -0.08 0.00 0.05 0.00 0.00 54.13 54.23 1j0q s LEU 23 Cb -0.09 1.68 -0.03 0.00 -2.05 0.00 0.00 46.19 45.70 1j0q s LEU 23 CO 0.14 -0.88 0.08 -0.63 -0.55 0.00 0.00 176.35 174.51 1j0q s ILE 24 N -3.85 4.44 -0.40 1.48 1.01 -0.34 -0.95 121.20 122.60 1j0q s ILE 24 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.60 1j0q s ILE 24 Cb 0.02 -3.07 0.12 0.00 0.01 0.00 0.00 42.46 39.54 1j0q s ILE 24 CO -0.09 0.35 0.18 -0.76 0.00 0.00 0.00 174.94 174.62 1j0q s LEU 25 N 1.48 2.85 -0.63 2.97 1.02 -0.96 -0.71 118.68 124.69 1j0q s LEU 25 Ca 0.06 -2.31 -0.01 0.00 0.02 0.00 0.00 54.13 51.89 1j0q s LEU 25 Cb -0.15 -1.08 -0.01 0.00 0.02 0.00 0.00 46.19 44.98 1j0q s LEU 25 CO 0.04 -0.32 0.53 1.41 0.02 0.00 0.00 176.35 178.03 1j0q n HIS 26 N 3.97 -1.21 -0.63 0.29 8.25 -1.26 -3.58 115.22 121.05 1j0q n HIS 26 Ca 0.05 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1j0q n HIS 26 Cb 0.37 -3.61 0.00 0.00 1.12 0.00 0.00 29.99 27.87 1j0q n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j0q n TYR 27 N -2.64 0.00 -3.34 4.41 4.02 -1.26 -4.97 117.16 113.38 1j0q n TYR 27 Ca -0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.53 1j0q n TYR 27 Cb 0.59 -1.00 -0.01 0.00 -0.02 0.00 0.00 39.34 38.90 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1j0q s LYS 28 N -0.64 3.34 -0.07 -0.72 3.01 -1.23 -0.83 119.74 122.59 1j0q s LYS 28 Ca 0.00 -0.47 0.04 0.00 -1.01 0.00 0.00 55.97 54.53 1j0q s LYS 28 Cb 0.00 -2.67 -0.01 0.00 -1.01 0.00 0.00 37.83 34.14 1j0q s LYS 28 CO 0.00 0.06 -0.21 0.08 0.51 0.00 0.00 175.35 175.79 1j0q s VAL 29 N -2.34 2.36 -0.18 3.17 1.01 -0.09 -2.25 120.40 122.08 1j0q s VAL 29 Ca 0.42 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1j0q s VAL 29 Cb -0.10 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.44 1j0q s VAL 29 CO 0.35 0.56 0.02 -0.31 0.00 0.00 0.00 175.10 175.73 1j0q s TYR 30 N -0.08 1.16 -0.14 5.22 1.51 -0.13 -1.96 117.35 122.93 1j0q s TYR 30 Ca -0.05 -0.89 -0.08 0.00 -1.01 0.00 0.00 57.07 55.04 1j0q s TYR 30 Cb -0.14 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1j0q s TYR 30 CO 0.04 -0.60 0.14 0.34 -1.11 0.00 0.00 175.55 174.36 1j0q s ASP 31 N 1.81 6.33 -0.40 2.29 -1.08 -0.95 -0.81 116.67 123.85 1j0q s ASP 31 Ca -0.01 0.39 0.09 0.00 -0.52 0.00 0.00 52.55 52.51 1j0q s ASP 31 Cb -0.17 -2.07 0.39 0.00 -1.46 0.00 0.00 42.92 39.61 1j0q s ASP 31 CO -0.08 0.34 1.30 0.00 0.52 0.00 0.00 175.17 177.25 1j0q n LEU 32 N 2.46 -1.67 -0.34 -1.34 -0.00 -0.75 -4.68 117.00 110.67 1j0q n LEU 32 Ca -0.19 -3.52 0.23 0.00 -0.00 0.00 0.00 56.01 52.53 1j0q n LEU 32 Cb 0.54 0.16 0.46 0.00 -0.00 0.00 0.00 43.42 44.58 1j0q n LEU 32 CO 0.33 1.90 1.15 0.71 -0.00 0.00 0.00 177.39 181.48 1j0q h THR 33 N 2.18 0.39 -0.06 1.47 1.35 -1.92 -0.06 112.91 116.25 1j0q h THR 33 Ca -0.24 -0.14 -0.21 0.00 -0.55 0.00 0.00 66.41 65.27 1j0q h THR 33 Cb 1.27 -0.05 0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1j0q h THR 33 CO 0.00 0.07 -0.77 0.11 -0.25 0.00 0.00 175.52 174.68 1j0q h LYS 34 N 0.40 0.64 0.00 4.72 1.57 -1.98 -3.33 116.57 118.59 1j0q h LYS 34 Ca 0.70 -0.60 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1j0q h LYS 34 Cb 1.57 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1j0q h LYS 34 CO -0.52 1.21 -0.27 0.35 -0.57 0.00 0.00 179.45 179.65 1j0q h PHE 35 N 0.28 0.00 -0.32 -1.35 3.57 -1.43 0.02 116.94 117.71 1j0q h PHE 35 Ca -0.08 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.47 1j0q h PHE 35 Cb 1.43 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.12 1j0q h PHE 35 CO 0.11 0.27 -0.14 1.28 -2.23 0.00 0.00 178.31 177.60 1j0q n LEU 36 N -3.53 -0.24 0.05 0.59 4.77 -0.78 -0.27 117.00 117.59 1j0q n LEU 36 Ca -0.00 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1j0q n LEU 36 Cb 0.42 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1j0q n LEU 36 CO 0.34 -0.50 0.63 -0.33 -1.33 0.00 0.00 177.39 176.21 1j0q h GLU 37 N 0.00 -0.13 -0.09 3.23 4.39 -1.20 -2.71 114.58 118.07 1j0q h GLU 37 Ca 0.10 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1j0q h GLU 37 Cb 0.18 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1j0q h GLU 37 CO -0.32 0.23 -0.34 1.49 -1.16 0.00 0.00 179.01 178.92 1j0q h GLU 38 N -0.52 0.18 -6.43 2.33 4.81 -1.09 -3.46 114.58 110.39 1j0q h GLU 38 Ca -0.01 -0.07 -0.55 0.00 -0.13 0.00 0.00 59.36 58.60 1j0q h GLU 38 Cb 0.42 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.83 1j0q h GLU 38 CO 0.02 0.50 1.13 1.58 -0.73 0.00 0.00 179.01 181.51 1j0q n HIS 39 N -4.10 2.53 -0.33 0.92 -0.00 0.63 -4.91 115.22 109.97 1j0q n HIS 39 Ca -0.01 -0.17 0.10 0.00 0.46 0.00 0.00 57.72 58.10 1j0q n HIS 39 Cb 0.41 -2.73 0.28 0.00 -0.12 0.00 0.00 29.99 27.83 1j0q n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1j0q h PRO 40 N 9.09 0.68 0.00 1.57 0.11 -1.90 0.16 132.00 141.70 1j0q h PRO 40 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1j0q h PRO 40 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j0q h PRO 40 CO 0.94 0.45 0.00 0.78 -0.21 0.00 0.00 178.00 179.96 1j0q h GLY 41 N 0.70 0.00 0.00 -0.55 0.00 -1.96 -3.49 103.07 97.76 1j0q h GLY 41 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1j0q h GLY 41 CO -0.38 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.77 1j0q n GLY 42 N -0.58 -0.65 0.26 4.60 0.00 0.54 -4.45 105.19 104.92 1j0q n GLY 42 Ca -0.01 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j0q h GLU 43 N 0.00 -0.55 -0.56 1.61 4.22 -1.75 -3.31 114.58 114.24 1j0q h GLU 43 Ca 0.00 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.54 1j0q h GLU 43 Cb 0.00 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1j0q h GLU 43 CO 0.00 -0.35 -0.30 0.39 -2.18 0.00 0.00 179.01 176.56 1j0q n GLU 44 N -5.16 -0.22 -0.34 1.92 1.02 -1.26 -0.20 120.64 116.40 1j0q n GLU 44 Ca -0.07 0.85 -0.03 0.00 -0.02 0.00 0.00 57.16 57.88 1j0q n GLU 44 Cb 0.23 -1.25 0.09 0.00 -0.02 0.00 0.00 31.44 30.49 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1j0q h VAL 45 N 0.00 1.25 -0.25 2.62 -1.51 -1.78 0.13 116.25 116.71 1j0q h VAL 45 Ca 0.12 -0.56 -0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1j0q h VAL 45 Cb 0.26 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.36 1j0q h VAL 45 CO -0.53 0.27 0.03 -0.07 -1.23 0.00 0.00 177.57 176.03 1j0q h LEU 46 N 1.28 0.41 -0.35 4.19 3.38 -0.67 -2.88 115.31 120.66 1j0q h LEU 46 Ca 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1j0q h LEU 46 Cb -0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1j0q h LEU 46 CO -0.06 0.59 0.16 0.03 0.09 0.00 0.00 178.44 179.25 1j0q h ARG 47 N 0.22 0.51 -0.71 1.13 3.08 -0.10 0.45 114.38 118.96 1j0q h ARG 47 Ca 0.07 -0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.20 1j0q h ARG 47 Cb 0.36 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.20 1j0q h ARG 47 CO 0.01 0.47 -0.02 1.49 -1.07 0.00 0.00 179.97 180.85 1j0q h GLU 48 N 0.43 0.09 0.00 0.04 4.57 -0.79 -1.51 114.58 117.41 1j0q h GLU 48 Ca 0.12 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.08 1j0q h GLU 48 Cb 0.14 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1j0q h GLU 48 CO -0.01 0.06 -1.08 1.96 -1.18 0.00 0.00 179.01 178.76 1j0q h GLN 49 N 0.09 0.00 -7.07 1.92 1.08 -1.23 -3.48 115.11 106.42 1j0q h GLN 49 Ca 0.38 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 57.02 1j0q h GLN 49 Cb 0.65 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 28.24 1j0q h GLN 49 CO -0.64 0.84 0.44 0.00 -0.95 0.00 0.00 178.83 178.53 1j0q n ALA 50 N -2.37 0.94 -3.65 3.87 0.00 0.16 -1.82 120.51 117.63 1j0q n ALA 50 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1j0q n ALA 50 Cb 0.93 -2.29 0.04 0.00 0.00 0.00 0.00 19.45 18.13 1j0q n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0q n GLY 51 N 0.97 -0.50 3.96 0.00 0.00 0.99 -4.79 105.19 105.81 1j0q n GLY 51 Ca 0.16 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.41 1j0q n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0q s GLY 52 N -4.11 -0.03 -0.15 -0.02 0.00 -0.76 -4.24 107.32 98.02 1j0q s GLY 52 Ca 0.13 -0.12 -0.26 0.00 0.00 0.00 0.00 44.72 44.47 1j0q s GLY 52 CO 0.81 4.56 0.86 -0.35 0.00 0.00 0.00 173.10 178.98 1j0q s ASP 53 N -3.68 7.02 -0.14 1.64 -1.08 -1.26 -1.19 116.67 117.98 1j0q s ASP 53 Ca 0.27 1.25 0.15 0.00 -0.52 0.00 0.00 52.55 53.70 1j0q s ASP 53 Cb -0.01 -2.47 0.33 0.00 -1.46 0.00 0.00 42.92 39.31 1j0q s ASP 53 CO 0.02 -0.39 1.17 0.00 0.52 0.00 0.00 175.17 176.49 1j0q n ALA 54 N 5.06 2.85 0.39 3.66 0.00 0.11 -4.87 120.51 127.72 1j0q n ALA 54 Ca 0.05 -2.73 -0.18 0.00 0.00 0.00 0.00 53.44 50.58 1j0q n ALA 54 Cb 0.49 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 1j0q n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1j0q h THR 55 N 1.95 0.26 0.26 0.00 2.02 -1.81 0.89 112.91 116.47 1j0q h THR 55 Ca -0.03 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1j0q h THR 55 Cb 1.15 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1j0q h THR 55 CO 0.01 0.01 -0.26 -0.08 0.37 0.00 0.00 175.52 175.57 1j0q h GLU 56 N -1.03 -0.53 -0.36 6.66 4.81 -1.90 -1.39 114.58 120.84 1j0q h GLU 56 Ca -0.10 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1j0q h GLU 56 Cb 0.76 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.18 1j0q h GLU 56 CO 0.16 -0.35 -0.23 -0.97 -0.73 0.00 0.00 179.01 176.89 1j0q h ASN 57 N -0.55 -0.76 0.14 1.04 -0.73 -1.90 0.29 115.58 113.11 1j0q h ASN 57 Ca -0.01 0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.34 1j0q h ASN 57 Cb 0.51 0.39 -0.04 0.00 0.27 0.00 0.00 38.32 39.44 1j0q h ASN 57 CO -0.06 -0.26 -0.34 0.15 -0.37 0.00 0.00 177.43 176.55 1j0q h PHE 58 N -0.18 -0.94 -0.32 0.67 3.57 -0.51 -0.85 116.94 118.39 1j0q h PHE 58 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1j0q h PHE 58 Cb 0.45 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1j0q h PHE 58 CO -0.44 -0.45 -0.01 0.93 -2.23 0.00 0.00 178.31 176.10 1j0q h GLU 59 N -0.58 0.50 -0.23 1.11 4.39 -0.77 -0.22 114.58 118.78 1j0q h GLU 59 Ca 0.02 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1j0q h GLU 59 Cb 0.60 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1j0q h GLU 59 CO -0.19 0.54 0.03 0.22 -1.16 0.00 0.00 179.01 178.45 1j0q h ASP 60 N 0.48 0.37 -0.85 1.42 3.58 -0.08 -1.99 116.42 119.35 1j0q h ASP 60 Ca 0.10 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1j0q h ASP 60 Cb 0.33 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 1j0q h ASP 60 CO 0.01 0.55 0.42 0.45 -2.88 0.00 0.00 179.24 177.79 1j0q h HIS 61 N 0.18 1.21 0.00 0.28 3.86 -0.96 -3.48 115.15 116.24 1j0q h HIS 61 Ca 0.07 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1j0q h HIS 61 Cb 0.34 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1j0q h HIS 61 CO 0.02 0.87 0.00 0.41 0.86 0.00 0.00 177.93 180.09 1j0q n GLY 62 N -1.03 2.61 2.22 2.45 0.00 -0.11 -5.01 105.19 106.32 1j0q n GLY 62 Ca 0.08 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.31 1j0q n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j0q n HIS 63 N 0.00 -4.34 -0.61 1.61 8.25 -1.25 -4.61 115.22 114.27 1j0q n HIS 63 Ca 0.00 2.58 -0.28 0.00 -0.26 0.00 0.00 57.72 59.76 1j0q n HIS 63 Cb 0.00 -3.67 0.24 0.00 1.12 0.00 0.00 29.99 27.68 1j0q n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j0q s SER 64 N -0.54 1.22 0.31 0.41 0.15 -1.26 -4.62 113.70 109.37 1j0q s SER 64 Ca -0.01 1.53 0.08 0.00 0.70 0.00 0.00 55.95 58.25 1j0q s SER 64 Cb 0.00 -2.28 0.89 0.00 -1.71 0.00 0.00 66.02 62.91 1j0q s SER 64 CO 0.02 -4.06 1.65 0.71 1.20 0.00 0.00 173.24 172.76 1j0q h THR 65 N -2.52 0.29 -0.41 6.45 1.35 -1.98 -1.05 112.91 115.03 1j0q h THR 65 Ca -0.60 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.15 1j0q h THR 65 Cb 1.33 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 1j0q h THR 65 CO 0.50 0.04 0.15 0.44 -0.25 0.00 0.00 175.52 176.41 1j0q h ASP 66 N 0.25 0.58 -0.30 5.36 5.19 -1.98 0.35 116.42 125.85 1j0q h ASP 66 Ca 0.64 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.84 1j0q h ASP 66 Cb 1.38 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 1j0q h ASP 66 CO -0.65 0.60 0.06 0.00 -3.12 0.00 0.00 179.24 176.13 1j0q h ALA 67 N 1.00 0.40 -0.43 3.45 0.00 -1.56 0.33 119.26 122.45 1j0q h ALA 67 Ca 0.14 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1j0q h ALA 67 Cb 0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1j0q h ALA 67 CO -0.01 0.08 -0.16 0.00 0.00 0.00 0.00 179.25 179.16 1j0q h ARG 68 N 0.33 -0.06 0.13 0.00 -0.00 -0.72 0.13 114.38 114.18 1j0q h ARG 68 Ca 0.09 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.59 1j0q h ARG 68 Cb 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.28 1j0q h ARG 68 CO 0.00 -0.04 -0.18 1.49 0.00 0.00 0.00 179.97 181.25 1j0q h GLU 69 N -0.07 -0.34 -1.00 0.04 4.57 -0.05 -1.09 114.58 116.63 1j0q h GLU 69 Ca 0.21 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.61 1j0q h GLU 69 Cb 0.39 0.08 -0.11 0.00 -0.16 0.00 0.00 28.75 28.95 1j0q h GLU 69 CO -0.48 -0.23 0.61 -0.07 -1.18 0.00 0.00 179.01 177.66 1j0q h LEU 70 N -0.36 0.76 -0.83 1.64 -0.00 -0.45 0.67 115.31 116.73 1j0q h LEU 70 Ca 0.02 0.10 0.04 0.00 -0.00 0.00 0.00 57.88 58.04 1j0q h LEU 70 Cb 0.36 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 1j0q h LEU 70 CO -0.08 0.24 0.53 0.28 -0.00 0.00 0.00 178.44 179.41 1j0q h SER 71 N 0.72 0.85 0.00 -0.43 0.02 0.52 0.15 113.55 115.39 1j0q h SER 71 Ca 0.59 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.58 1j0q h SER 71 Cb 0.97 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 1j0q h SER 71 CO -0.39 0.57 -0.26 0.11 -1.14 0.00 0.00 176.83 175.71 1j0q h LYS 72 N 1.00 -0.39 -0.91 3.45 1.57 -0.34 -1.83 116.57 119.12 1j0q h LYS 72 Ca 0.35 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.30 1j0q h LYS 72 Cb 0.08 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.38 1j0q h LYS 72 CO -0.14 -0.26 0.51 1.15 -0.57 0.00 0.00 179.45 180.14 1j0q h THR 73 N -0.41 0.76 0.00 -0.16 2.02 -0.74 -0.30 112.91 114.08 1j0q h THR 73 Ca 0.06 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1j0q h THR 73 Cb 0.49 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1j0q h THR 73 CO -0.23 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.28 1j0q n PHE 74 N -4.80 0.00 -1.67 3.16 3.72 0.38 -4.85 117.46 113.40 1j0q n PHE 74 Ca 0.19 0.00 -0.51 0.00 -0.05 0.00 0.00 57.45 57.08 1j0q n PHE 74 Cb 0.45 -0.39 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 1j0q n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1j0q n ILE 75 N -1.39 0.29 -0.00 4.37 2.08 -0.13 -2.25 119.36 122.33 1j0q n ILE 75 Ca 0.10 -0.05 0.01 0.00 0.56 0.00 0.00 62.75 63.36 1j0q n ILE 75 Cb 0.27 -1.47 -0.01 0.00 -0.75 0.00 0.00 39.64 37.68 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1j0q n ILE 76 N 4.18 0.00 -3.84 1.39 -5.35 -0.83 -4.94 119.36 109.98 1j0q n ILE 76 Ca 0.22 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.67 1j0q n ILE 76 Cb 0.24 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0q n GLY 77 N 2.43 -0.84 3.11 3.28 0.00 -1.23 -4.89 105.19 107.04 1j0q n GLY 77 Ca -0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1j0q n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j0q s GLU 78 N -1.67 0.67 -0.42 1.61 8.01 -1.26 -0.92 118.70 124.73 1j0q s GLU 78 Ca 0.00 -1.26 -0.28 0.00 0.01 0.00 0.00 54.97 53.43 1j0q s GLU 78 Cb 0.00 0.18 0.00 0.00 -4.31 0.00 0.00 34.13 30.00 1j0q s GLU 78 CO 0.00 -0.12 1.55 -1.17 0.01 0.00 0.00 175.26 175.52 1j0q s LEU 79 N -2.95 3.52 0.07 1.80 2.96 -0.01 -1.48 118.68 122.59 1j0q s LEU 79 Ca 0.10 0.86 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 1j0q s LEU 79 Cb 0.08 -3.42 -0.09 0.00 0.50 0.00 0.00 46.19 43.26 1j0q s LEU 79 CO -0.08 -1.60 1.82 -2.28 -1.32 0.00 0.00 176.35 172.89 1j0q s HIS 80 N 6.13 1.91 -0.94 5.38 5.65 0.74 -4.84 115.29 129.32 1j0q s HIS 80 Ca 0.66 -0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.89 1j0q s HIS 80 Cb -0.16 -4.14 0.00 0.00 -1.18 0.00 0.00 32.58 27.11 1j0q s HIS 80 CO 0.31 -4.81 0.86 -2.30 -0.65 0.00 0.00 174.74 168.15 1j0q n PRO 81 N 6.38 0.00 -0.17 2.88 -0.02 -1.26 -0.46 135.00 142.34 1j0q n PRO 81 Ca 0.18 0.37 0.25 0.00 -2.02 0.00 0.00 63.50 62.28 1j0q n PRO 81 Cb 0.40 -1.57 0.66 0.00 -0.02 0.00 0.00 33.50 32.97 1j0q n PRO 81 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j0q h ASP 82 N 0.00 0.11 0.08 2.55 3.58 -1.99 -1.54 116.42 119.21 1j0q h ASP 82 Ca 0.00 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1j0q h ASP 82 Cb 0.14 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1j0q h ASP 82 CO 0.00 0.04 -0.08 -0.78 -2.88 0.00 0.00 179.24 175.54 1j0q h ASP 83 N 0.11 -0.21 0.00 2.28 3.58 -1.11 -3.52 116.42 117.55 1j0q h ASP 83 Ca 0.42 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1j0q h ASP 83 Cb 1.48 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.60 1j0q h ASP 83 CO -0.05 -0.10 0.00 0.54 -2.88 0.00 0.00 179.24 176.74